CID 54323006

1179215-80-5

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CS(=O)(=O)NC1CCC(CC1)C(=O)O
InChI
InChI=1S/C8H15NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKey
SSYHVHOPZWWGGO-UHFFFAOYSA-N
Compound name
4-(methanesulfonamido)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

221.07217 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 145.5
[M+Na]+ 244.061388 150.2
[M-H]- 220.064894 147.0
[M+NH4]+ 239.105993 162.8
[M+K]+ 260.035328 148.3
[M+H-H2O]+ 204.069430 140.2
[M+HCOO]- 266.070371 158.9
[M+CH3COO]- 280.086021 183.7
[M+Na-2H]- 242.046836 147.4
[M]+ 221.07162142 143.2
[M]- 221.07271858 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe